Erythrosine
기본 정보
- CAS
15905-32-5- 표준 SMILES
O=C1OC2(c3ccccc31)c1cc(I)c(O)c(I)c1Oc1c2cc(I)c(O)c1I- InChIKey
OALHHIHQOFIMEF-UHFFFAOYSA-N- 분자식
- C20H8I4O5
- 평균 분자량
- 835.9 g/mol
- 단동위원소 질량
- 835.65506536
개요
Fd&c red no. 3 is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]").<br /> Fd&c red no. 3 belongs to the family of Xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene ring joined to each other by a pyran ring.
이름 및 식별자
- 우선 이름
- Erythrosine
- IUPAC
- 3',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-one
- 영어명
- ERYTHROSIN B
- 분자식
- C20H8I4O5
- 분자량
- 835.89
이름 및 동의어
ERYTHROSINEE1273',6'-dihydroxy-2',4',5',7'-tetraiodospiro[2-benzofuran-3,9'-xanthene]-1-oneFD & C red no. 33',6'-dihydroxy-2',4',5',7'-tetraiodospiro(2-benzofuran-3,9'-xanthene)-1-oneFDC Red No. 3RefChem:591122Spiro(isobenzofuran-1(3H),9'-(9H)xanthen)-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, disodium salt16423-68-0Erythrosine, sodium anhydrousNSC-36685Erythrosin B
이름 더 보기
ERYTHROSINtraiodo-Nsc328781cherry redBErythrosiIODOEOSINECI 45430:2tetraiodo-
Tetraiodofluorescein15905-32-5Solvent Red 140IodeosinErythrosine acidErythrosine, phenolic2',4',5',7'-Tetraiodofluorescein2,4,5,7-Erythrosin
데이터베이스 식별자
- CAS
15905-32-5、16423-68-0- PubChem CID
- 3259
- DTXSID
DTXSID7044843- ChEMBL
CHEMBL1332616- UNII
- 1A878FZQ9B
- EC Number
- 240-046-0
- Nikkaji
- J25.137B
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 76 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 645
실험 및 물리화학적 성질
CosmeticsHair dyeing; Cosmetic colorant
Solubility0.7 mg/mL
Melting Point303 °C
Physical Description
Liquid; Other Solid
Red powder or granules.
Solid
Collision Cross Section217.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7021233]
물리화학적 성질
- 녹는점
- 303 °C · 303 °C (dec.)(lit.)
- 끓는 점
- 628.3 · 628.3±55.0 °C(Predicted)
- 밀도
- 2.4391 · 2.4391 (estimate)
- 저장 조건
- room temp
- 용해도
- 휘발성 액체: 용해성
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 7.21 · 7.21±0.20(Predicted)
- 색상
- 빨간색
- 수용성
- 물, 증류주, 메탄올, 메틸 셀로솔브 및 에탄올에 용해됩니다.
- 주요 응용
- 진단 검사 제조혈액학조직학
- InChI
- 1S/C20H8I4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H
- InChIKey
- OALHHIHQOFIMEF-UHFFFAOYSA-N
- SMILES
- Oc1c(I)cc2c(Oc3c(I)c(O)c(I)cc3C24OC(=O)c5ccccc45)c1I
- EPA
- 2 · 2',4',5',7'-Tetraiodofluorescein (15905-32-5)
화학적 성질
orange-red fine powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 94.9% (37 of 39) of all reports.
Not Classified
Aggregated GHS information provided per 39 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, disodium salt
Regulation (EC) No 1333/2008 (amended)
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Erythrosine: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
독성 정보
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- LM5940000
- 독성
- A food color formerly approved for use in the United States and Europe. It was used primarily in jams and marmalades, maraschino cherries, pickles and relishes, etc. The LD50 in rats is 150 mg/kg, i.p., and 600 mg/kg, p.o. Erythrosine has a variety of actions in vitro due in large measure to its ability to affect biological membranes and lipophilic sites of enzymes. Such data have led to the hypothesis that erythrosine could be neurotoxic, but both clinical and preclinical data have suggested that erythrosine is not likely to be neurotoxic at doses that might be encountered. Two other toxicological issues have been raised with this food color. It has been suggested to be a potential, if weak, carcinogen, and it may also contribute to potential thyroid toxicity resulting from release of iodine.
- HS 번호
- 29329990
- safety_code
- 22-24/25
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Chemicals that emit light after excitation by light. The wave length of the emitted light is usually longer than that of the incident light. Fluorochromes are substances that cause fluorescence in other substances, i.e., dyes used to mark or label other compounds with fluorescent tags.
Cellular LocationsMembrane
용도 및 제조
U.S. Production2023: 108,000 lb
Consumer UsesPigment
Use Classification
Food additives
Food Additives -> COLOUR -> JECFA Functional Classes
Food Additives -> COLOUR -> JECFA Functional Classes
Food Additives -> COLOUR -> JECFA Functional Classes
Cosmetics -> Hair dyeing; Cosmetic colorant
General Manufacturing Information
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-: ACTIVE
Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-dihydroxy-2',4',5',7'-tetraiodo-, sodium salt (1:2): ACTIVE
응용 분야
용도Erythrosin B is used as a red coloring in some foods such as cherries and fish. It is used as printing ink, dental plaque disclosing agent and biological stain. It finds application as a radiopaque medium and sensitizer for orthochromatic photographic films. It is utilized as a cake-decorating gel. In addition to this, it is used in sweets such as candies and popsicles.
제조 방법
Fluorescein (C.I.Acid Yellow 73, C.L 45350) in aqueous solution or Tetraiodide in ethanol, and made the free acid form.
상·하류 제품 정보
상류 원료
관련 반응
6건
화합물 노트
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